SCHEMBL514694

SCHEMBL514694

[CH2]OC(=O)N(CC)CC

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL304727 0.79 CA12 (0.46)
SCHEMBL304558 0.79 MEN1 (0.33)
SCHEMBL2777832 0.77 MEN1 (0.52)
SCHEMBL514393 0.76
SCHEMBL304949 0.75 CA12 (0.50)
SCHEMBL514695 0.74
SCHEMBL2182114 0.74 MEN1 (0.45)
SCHEMBL515159 0.74 MEN1 (0.45)
SCHEMBL7956546 0.74 CA12 (0.43)
SCHEMBL17040541 0.72

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 64 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132481-A1 INTERLEUKIN-4 GENE EXPRESSION INHIBITORS AVENTIS PHARMACEUTICALS INC. 2008-06-05 US claimed
EP-1501797-A1 3-SUBSTITUTED AMINO-1H-INDOLE-2-CARBOXYLIC ACID AND 3-SUBSTITUTED AMINO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID DERIVATIVES AS INTERLEUKIN-4 GENE EXPRESSION INHIBITORS Aventis Pharmaceuticals, Inc. (US) 2005-02-02 EP claimed
US-20040006123-A1 Interleukin-4 gene expression inhibitors AVENTIS PHARMACEUTICALS INC. 2004-01-08 US claimed
WO-2003091214-A1 3-SUBSTITUTED AMINO-1H-INDOLE-2-CARBOXYLIC ACID AND 3-SUBSTITUTED AMINO-BENZO AVENTIS PHARMACEUTICALS INC. (US) 2003-11-06 WO claimed
EP-0131793-B1 5-AMINOMETHYL-1,3-OXATHIOLANES BAYER AG (DE) 1989-01-25 EP claimed
US-4615725-A Tetrahydrofuran-2-ylmethylamines and fungicidal and plant growth regulating use BAYER AKTIENGESELLSCHAFT (DE) 1986-10-07 US claimed
EP-0158922-A2 Tetrahydrofuran-2-ylmethylamines BAYER AG (DE) 1985-10-23 EP claimed
EP-0131793-A2 5-Aminomethyl-1,3-oxathiolanes BAYER AG (DE) 1985-01-23 EP claimed
US-11964957-B2 Pyrazole derivative and harmful organism-controlling agent KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2024-04-23 US disclosed
EP-3808738-B1 PYRAZOLE DERIVATIVE AND HARMFUL ORGANISM-CONTROLLING AGENT KUMIAI CHEMICAL INDUSTRY CO (JP) 2024-04-17 EP disclosed
CN-112236421-B Pyrazole derivatives and pest control agents 组合化学工业株式会社 2023-12-26 CN disclosed
WO-2023210623-A1 HALOALKYL SULFONE ANILIDE COMPOUND AND HERBICIDE CONTAINING SAME 株式会社エス・ディー・エス バイオテック 2023-11-02 WO disclosed
EP-3808738-A1 PYRAZOLE DERIVATIVE AND HARMFUL ORGANISM-CONTROLLING AGENT Kumiai Chemical Industry Co., Ltd. (JP) 2021-04-21 EP disclosed
CN-112236421-A Pyrazole derivative and pest control agent 组合化学工业株式会社 2021-01-15 CN disclosed
WO-1988005775-A1 NOVEL XANTHINE DERIVATIVES SANDOZ-ERFINDUNGEN VERWALTUNGSGESELLSCHAFT M.B.H. (AT) 1988-08-11 WO disclosed
EP-0254241-A1 Pyrazolopyridine compounds, their preparation and use Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1988-01-27 EP disclosed
US-4615725-A Tetrahydrofuran-2-ylmethylamines and fungicidal and plant growth regulating use BAYER AKTIENGESELLSCHAFT (DE) 1986-10-07 US disclosed
EP-0158922-A2 Tetrahydrofuran-2-ylmethylamines BAYER AG (DE) 1985-10-23 EP disclosed
US-4542130-A 5-Aminomethyl-1,3-oxathiolane microbicides, compositions and use BAYER AKTIENGESELLSCHAFT (DE) 1985-09-17 US disclosed
EP-0131793-A2 5-Aminomethyl-1,3-oxathiolanes BAYER AG (DE) 1985-01-23 EP disclosed